NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 K 4.4070 8.3149 120.0883 55.6243 34.7538 175.2352 6 I 4.3776 8.0868 121.9038 58.3994 40.4094 169.2618 7 V 4.6819 9.2210 128.0955 61.6755 33.7572 173.8621 8 L 5.1497 9.1756 128.4461 53.0721 44.3666 175.4523 9 K 5.2744 8.9929 123.4022 54.5667 34.6311 176.5552 10 S 4.9413 8.9870 120.7508 57.5777 64.5349 175.4081 11 S 4.2033 9.3073 114.5008 60.5239 62.7955 175.3228 12 D 4.5762 8.1070 120.1269 54.2696 40.8369 176.9337 13 G 3.9203 8.3003 107.6011 46.0722 0.0000 172.9770 14 E 4.6851 8.0103 118.5045 54.5824 31.8461 175.0886 15 S 5.3222 8.5243 119.5668 57.4177 64.7741 173.4611 16 F 4.7462 9.6098 122.8973 55.5458 42.0631 173.7595 17 E 5.1492 8.9378 124.0297 54.6746 31.1187 175.2421 18 V 4.6935 8.7689 119.8282 59.1009 36.3401 175.4164 19 E 4.2312 8.7590 122.3764 56.3598 30.3412 177.5371 20 E 3.8749 9.1841 123.2353 59.8698 29.3140 179.4166 21 A 3.9795 7.9585 118.3629 54.9388 18.7188 179.4618 22 V 3.6491 7.7314 116.1713 66.2504 31.9354 177.8719 23 A 4.0385 7.9106 120.4399 55.1537 18.0094 178.8373 24 L 4.2964 7.9059 114.5072 55.9185 41.9065 178.6825 25 E 4.1823 7.9376 119.1542 57.4582 29.6138 176.6627 26 S 4.5508 7.5118 114.4486 56.9173 63.3993 174.8134 27 Q 3.9891 8.7269 127.8608 59.0767 28.4872 178.8865 28 T 3.7678 7.6596 116.4599 66.7096 68.4206 176.6923 29 I 3.6380 7.7767 121.3777 64.2135 36.8812 178.0354 30 A 3.9488 7.9714 120.8821 55.8094 18.2042 178.9498 31 H 4.2751 8.0724 115.0930 59.4528 30.0222 177.0509 32 M 4.1937 7.7154 119.3760 57.2277 32.1065 177.5605 33 V 3.4170 7.8962 119.1231 63.0719 31.9353 175.4180 *39 D 4.4040 8.4026 126.1529 54.6552 40.5766 174.7314 40 N 4.5472 9.0407 120.9778 53.6011 39.4289 174.5936 41 G 3.8238 7.5321 103.8912 43.5761 0.0000 173.1534 42 V 4.0888 8.4145 125.1688 60.7659 32.1892 173.3966 43 P 4.7766 0.0000 0.0000 62.5796 32.1020 177.0947 44 L 5.0186 9.1276 124.2096 52.0236 41.4862 175.4564 45 P 4.3012 0.0000 0.0000 64.7177 31.8555 177.8830 46 N 4.5020 7.7607 114.5692 52.4747 38.8814 174.3181 47 V 4.2297 7.4064 119.1817 60.3849 33.9564 175.1461 48 T 4.4427 8.1691 122.4384 61.2093 69.3715 174.9457 49 S 4.1989 9.0951 122.0372 61.5779 62.7927 176.8233 50 K 3.8774 8.1703 121.7703 59.9813 31.7847 178.5799 51 I 3.8434 7.6584 119.1340 63.8267 37.1486 177.8076 52 L 3.7415 8.5551 121.5312 57.9103 41.7873 178.6157 53 A 4.1056 8.2900 121.0724 55.3446 18.3279 179.5296 54 K 4.0295 7.8457 117.7555 59.6763 32.2453 178.9675 55 V 3.6876 8.0724 118.7083 66.2594 31.3832 178.0060 56 I 3.7274 8.0375 119.5705 64.3764 36.9632 177.9741 57 E 4.0112 8.4077 119.4620 59.7708 29.3045 178.9360 58 Y 3.5079 8.0098 118.9897 60.9604 38.6784 177.9909 59 C 4.2149 8.2716 116.2474 62.5032 28.2287 176.0945 60 K 4.0916 8.2463 119.9390 59.4177 31.7777 178.9586 61 R 3.9103 7.5725 117.3892 59.7738 30.1334 177.8264 62 H 4.0330 7.8543 113.4033 57.4863 28.8461 176.0029 *90 F 4.8320 7.8487 121.8559 58.2292 40.7820 175.1939 91 M 4.2147 8.0551 116.5951 55.5791 32.5998 177.1499 92 K 4.3388 7.6914 121.5208 55.6621 30.1227 174.9769 93 I 4.5996 7.0162 114.1466 57.7316 41.3749 176.0215 94 D 4.5943 8.1128 121.4064 52.3125 41.8522 177.1227 95 Q 3.5162 8.2185 119.0845 59.0700 28.8627 177.7098 96 A 3.6591 7.5422 121.0444 55.5236 18.4470 179.4093 97 T 3.7310 8.2051 114.2904 66.7172 68.4574 176.4457 98 L 3.9545 7.9740 122.1495 58.4005 41.9834 179.1741 99 F 4.2981 8.4233 117.6800 60.4184 38.8055 177.3881 100 E 3.9703 8.5678 119.4103 58.9721 29.3164 178.6774 101 L 3.9514 8.0199 120.5161 58.1951 42.1222 178.9724 102 I 3.6737 7.9484 119.8460 64.4075 36.9736 178.3741 103 L 3.9581 7.7562 119.6324 57.6895 41.4197 179.5370 104 A 4.0744 8.2049 120.4299 55.1238 18.3958 179.4336 105 A 3.8943 8.2225 119.5880 55.2506 18.3447 179.3392 106 N 4.2061 8.4127 115.6414 57.0648 38.8896 176.3466 107 Y 4.1893 8.1474 119.7839 60.7559 39.3719 177.6164 108 L 3.8231 8.7304 118.4097 54.1128 43.1980 175.6024 109 N 4.2006 7.5516 117.3188 54.5694 37.4930 174.4034 110 I 4.5654 7.7049 119.8315 59.4836 38.1262 177.1661 111 K 3.9513 8.5606 127.8848 59.3455 32.1267 178.2289 112 N 4.3644 8.0947 117.0091 55.8067 37.3643 176.8885 113 L 3.2889 7.7158 122.2136 57.5516 42.1038 178.4991 114 L 3.8920 8.1366 120.7224 58.0809 41.8827 178.7506 115 D 4.3080 8.3370 119.1197 57.2130 40.8450 178.4461 116 L 3.9902 7.8617 120.9802 58.4215 42.1684 179.0950 117 T 3.9196 8.0599 109.8515 65.1772 68.5899 176.2311 118 C 4.1824 8.3637 119.9221 62.3776 28.0143 175.8848 119 Q 3.9806 8.4344 121.5194 59.3862 28.4159 178.3594 120 T 3.8943 7.8165 115.8781 66.6098 68.8042 176.5010 121 V 3.8830 7.9524 119.8750 66.0064 31.5340 177.6704 122 A 4.0236 8.3485 120.8834 55.6343 17.9738 179.4162 123 D 4.3543 8.2532 115.9941 57.4048 40.9425 178.2185 124 M 4.3828 7.9854 117.3432 56.7152 32.4270 177.5532 125 I 4.1272 7.8806 120.6247 61.6816 38.1796 176.2950 126 K 3.9693 7.6077 118.3219 58.1967 32.1633 177.2181 127 G 3.9571 9.0094 111.4180 45.3274 0.0000 173.0996 128 K 4.6990 7.3795 118.3907 54.8250 34.0995 177.0930 129 T 4.2386 9.0199 112.7548 60.8314 70.9739 174.0654 130 P 4.1885 0.0000 0.0000 65.7563 31.3251 178.6319 131 E 3.9490 8.0967 117.6152 59.4088 29.6954 178.5946 132 E 4.0397 8.3262 118.6107 59.2659 29.4358 179.4878 133 I 3.7909 8.2410 121.6439 63.8832 37.2271 178.5719 134 R 4.1761 8.1756 115.9740 58.5642 28.8844 178.9080 135 T 3.9244 7.9627 117.7209 66.9993 68.2647 176.6624 136 T 4.0108 8.2169 111.1415 64.2330 68.9060 175.4796 137 F 4.6311 8.6431 117.8133 56.2871 39.9142 175.0070 138 N 4.2721 7.5527 116.4020 54.4696 36.3400 174.2442 139 I 4.4945 7.9260 117.4739 59.4685 39.4482 176.2894 140 K 4.2783 8.4175 124.3129 55.1847 32.9157 176.2379 141 N 4.4883 8.8467 122.9318 53.9889 39.0915 173.9456 142 D 4.9021 8.5609 124.5536 53.0111 39.9268 175.6935 143 F 4.9188 8.4356 118.3388 56.8188 40.5604 176.7205 144 T 4.1443 8.6870 114.7865 61.1186 70.5145 173.7587 145 P 4.2300 0.0000 0.0000 65.9677 31.4156 178.6120 146 E 3.8650 8.0924 117.3328 59.2427 29.7625 178.2544 147 E 3.9538 8.5956 119.0844 59.7765 29.5706 179.2304 148 E 3.4832 8.2131 118.9115 58.8530 29.5673 178.6283 149 E 3.8136 8.3317 119.1283 59.1318 29.5149 178.8064 150 E 3.7334 7.9263 119.1749 59.2140 29.7446 179.0547 151 V 3.5008 7.4692 117.9416 65.9226 31.5853 177.8415 152 R 3.7671 7.9008 118.5129 59.3725 29.8234 178.3283 153 R 3.3144 7.7852 118.4071 59.1646 29.9712 177.9956 154 E 3.7758 7.9621 118.9267 59.2752 29.7612 178.2861 155 N 4.5897 8.6254 116.7918 56.8711 38.4760 177.4394 156 Q 4.1475 8.0510 117.6570 58.6946 28.9887 178.3156 157 W 4.3673 8.6284 119.3207 58.8017 29.2230 177.0894 158 A 4.2864 7.8826 119.9903 52.4843 19.7201 177.3450 159 F 5.2534 7.9075 111.8827 56.9853 40.1223 174.8839 160 E 4.2680 8.1334 127.3047 56.6154 29.6146 174.7140 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 5 K 8.31 4.41 0.00 1.67 1.95 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.49 7.81 6 I 8.09 4.38 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.94 0.93 0.00 0.00 7 V 9.22 4.68 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.96 0.00 0.00 8 L 9.18 5.15 0.00 1.66 1.56 0.90 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.99 5.27 0.00 1.71 1.76 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.41 7.81 10 S 8.99 4.94 0.00 4.16 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 S 9.31 4.20 0.00 3.97 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 D 8.11 4.58 0.00 2.78 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 G 8.30 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.01 4.69 0.00 2.05 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 15 S 8.52 5.32 0.00 3.73 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 F 9.61 4.75 0.00 3.07 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.94 5.15 0.00 1.97 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.33 0.00 18 V 8.77 4.69 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 1.01 0.00 0.00 19 E 8.76 4.23 0.00 2.04 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.32 0.00 20 E 9.18 3.87 0.00 2.03 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 21 A 7.96 3.98 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 V 7.73 3.65 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.94 0.00 0.00 23 A 7.91 4.04 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.91 4.30 0.00 1.63 1.72 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 25 E 7.94 4.18 0.00 2.18 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.48 0.00 26 S 7.51 4.55 0.00 3.85 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Q 8.73 3.99 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.54 0.00 28 T 7.66 3.77 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 29 I 7.78 3.64 1.99 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.82 0.90 0.00 0.00 30 A 7.97 3.95 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 H 8.07 4.28 0.00 3.25 3.31 0.00 5.77 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 M 7.72 4.19 0.00 2.06 2.21 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.55 0.00 33 V 7.90 3.42 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.97 0.00 0.00 *39 D 8.40 4.40 0.00 2.72 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 N 9.04 4.55 0.00 2.70 2.88 0.00 0.00 7.17 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 G 7.53 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 V 8.41 4.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.94 0.00 0.00 43 P 0.00 4.78 0.00 2.02 2.00 0.00 3.69 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.14 0.00 44 L 9.13 5.02 0.00 1.67 1.75 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.30 0.00 2.16 2.20 0.00 3.92 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.04 0.00 46 N 7.76 4.50 0.00 1.44 2.19 0.00 0.00 6.62 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 7.41 4.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 1.14 0.00 0.00 48 T 8.17 4.44 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 49 S 9.10 4.20 0.00 4.10 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.17 3.88 0.00 1.84 1.83 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.57 7.81 51 I 7.66 3.84 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.35 0.91 0.00 0.00 52 L 8.56 3.74 0.00 1.62 1.25 0.77 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 53 A 8.29 4.11 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 K 7.85 4.03 0.00 1.85 2.03 0.00 1.41 0.00 0.00 1.18 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.65 7.81 55 V 8.07 3.69 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.01 0.00 0.00 56 I 8.04 3.73 2.06 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.50 1.00 0.00 0.00 57 E 8.41 4.01 0.00 2.45 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.71 0.00 58 Y 8.01 3.51 0.00 2.72 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 C 8.27 4.21 0.00 3.04 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.25 4.09 0.00 1.83 1.86 0.00 1.76 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.70 7.81 61 R 7.57 3.91 0.00 1.78 1.75 0.00 2.98 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.55 0.00 62 H 7.85 4.03 0.00 2.81 3.17 0.00 5.93 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *90 F 7.85 4.83 0.00 3.03 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 M 8.06 4.21 0.00 2.09 2.17 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.72 0.00 92 K 7.69 4.34 0.00 1.72 1.74 0.00 1.73 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.43 7.81 93 I 7.02 4.60 1.75 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.75 0.74 0.00 0.00 94 D 8.11 4.59 0.00 2.86 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 8.22 3.52 0.00 1.83 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.92 0.00 0.00 0.00 0.00 0.00 1.48 1.16 0.00 96 A 7.54 3.66 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 T 8.21 3.73 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 98 L 7.97 3.95 0.00 1.81 1.94 0.96 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 99 F 8.42 4.30 0.00 3.13 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 E 8.57 3.97 0.00 2.16 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 101 L 8.02 3.95 0.00 2.06 1.72 0.87 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 102 I 7.95 3.67 1.82 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.66 0.88 0.00 0.00 103 L 7.76 3.96 0.00 1.78 1.70 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 104 A 8.20 4.07 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 A 8.22 3.89 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 N 8.41 4.21 0.00 2.91 3.01 0.00 0.00 6.87 8.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 Y 8.15 4.19 0.00 2.88 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 L 8.73 3.82 0.00 1.71 1.60 0.93 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 109 N 7.55 4.20 0.00 2.83 2.69 0.00 0.00 6.92 9.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 I 7.70 4.57 1.81 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.58 0.98 0.00 0.00 111 K 8.56 3.95 0.00 1.81 1.80 0.00 1.72 0.00 0.00 1.87 0.00 0.00 3.14 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.49 7.81 112 N 8.09 4.36 0.00 3.12 3.11 0.00 0.00 5.88 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 L 7.72 3.29 0.00 0.96 1.58 0.24 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 114 L 8.14 3.89 0.00 1.98 1.71 0.90 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 115 D 8.34 4.31 0.00 2.91 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 L 7.86 3.99 0.00 1.87 1.81 1.04 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 117 T 8.06 3.92 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 118 C 8.36 4.18 0.00 3.05 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 Q 8.43 3.98 0.00 2.24 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 120 T 7.82 3.89 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 121 V 7.95 3.88 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 1.01 0.00 0.00 122 A 8.35 4.02 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 D 8.25 4.35 0.00 2.94 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 M 7.99 4.38 0.00 2.31 2.59 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.68 0.00 125 I 7.88 4.13 1.97 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.28 0.81 0.00 0.00 126 K 7.61 3.97 0.00 1.76 1.79 0.00 1.90 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.46 1.67 7.81 127 G 9.01 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 K 7.38 4.70 0.00 1.90 1.74 0.00 1.78 0.00 0.00 1.79 0.00 0.00 3.24 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.38 7.81 129 T 9.02 4.24 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 130 P 0.00 4.19 0.00 2.17 2.14 0.00 3.59 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.12 0.00 131 E 8.10 3.95 0.00 2.08 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 132 E 8.33 4.04 0.00 2.24 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 133 I 8.24 3.79 1.97 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.46 0.61 0.00 0.00 134 R 8.18 4.18 0.00 2.23 2.22 0.00 2.93 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.71 0.00 135 T 7.96 3.92 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 136 T 8.22 4.01 4.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 137 F 8.64 4.63 0.00 3.15 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 N 7.55 4.27 0.00 2.95 2.90 0.00 0.00 6.83 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 I 7.93 4.49 1.93 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.87 0.93 0.00 0.00 140 K 8.42 4.28 0.00 1.75 1.75 0.00 1.78 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.37 7.81 141 N 8.85 4.49 0.00 2.74 2.81 0.00 0.00 6.97 8.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 D 8.56 4.90 0.00 2.67 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 F 8.44 4.92 0.00 3.10 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 T 8.69 4.14 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 145 P 0.00 4.23 0.00 2.17 2.15 0.00 3.62 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 146 E 8.09 3.87 0.00 2.02 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 147 E 8.60 3.95 0.00 2.32 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.39 0.00 148 E 8.21 3.48 0.00 1.67 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.00 0.00 149 E 8.33 3.81 0.00 2.09 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.54 0.00 150 E 7.93 3.73 0.00 2.18 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.25 0.00 151 V 7.47 3.50 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.92 0.00 0.00 152 R 7.90 3.77 0.00 1.86 1.81 0.00 3.09 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 153 R 7.79 3.31 0.00 1.44 1.60 0.00 2.21 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 154 E 7.96 3.78 0.00 2.18 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.32 0.00 155 N 8.63 4.59 0.00 2.91 2.94 0.00 0.00 7.10 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 Q 8.05 4.15 0.00 2.24 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.00 0.00 0.00 0.00 0.00 0.00 2.64 2.54 0.00 157 W 8.63 4.37 0.00 3.16 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 A 7.88 4.29 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 F 7.91 5.25 0.00 3.27 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 E 8.13 4.27 0.00 2.16 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.35 0.00 * Residues marked with a * may have inaccurate shift predictions.